SCHEMBL2182300

SCHEMBL2182300

FC(F)(F)c1ccc(-c2cccc3ccccc23)s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
ALDH1A1 P00352 3/20 0.38
HPGD P15428 2/20 0.38
HTR6 P50406 1/20 0.38
PRKDC P78527 1/20 0.38
KCNQ3 O43525 2/20 0.37
KCNQ2 O43526 2/20 0.37
CYP1A1 P04798 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP1B1 Q16678 1/20 0.37
ENPP1 P22413 1/20 0.36
HSD11B1 P28845 2/20 0.35
PSD A5PKW4 1/20 0.35
DAO P14920 1/20 0.34
KDM4E B2RXH2 2/20 0.34
PTPN1 P18031 1/20 0.34
ALPL P05186 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL25451033 0.82 CA12 (0.41) CA12CA1CA2CA9ALDH1A1
SCHEMBL13707355 0.81 CA12 (0.47) CA12CA1CA2CA9ALDH1A1
SCHEMBL11525685 0.80 CA12 (0.47) CA12CA1CA2CA9PRKDC
SCHEMBL23796380 0.77 PTPN1 (0.49) CA12CA1CA2CA9ALDH1A1
SCHEMBL11523983 0.76 CA12 (0.51) CA12CA1CA2CA9ALDH1A1
SCHEMBL12744135 0.74 ALDH1A1 (0.45) CA12CA1CA2CA9ALDH1A1
SCHEMBL14190047 0.74 CA12 (0.50) CA12CA1CA2CA9PRKDC
SCHEMBL19439599 0.73 DAO (0.48) ALDH1A1HPGDDAOTSHR
SCHEMBL23796390 0.73 LCK (0.44) ALDH1A1HPGDKDM4EGAALMNA
SCHEMBL12744137 0.71 ALDH1A1 (0.43) CA12CA1CA2CA9ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110166182-A1 Selective Estrogen Receptor Modulator for the Treatment of Osteoarthritis ELI LILLY AND COMPANY (US) 2011-07-07 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110166182-A1 Selective Estrogen Receptor Modulator for the Treatment of Osteoarthritis ESRRA, GPER1, ESR2 CA12 1150/4885CA1 1123/4885CA2 851/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.